4-Ethynyl-1-methyl-1H-pyrazole - CAS 39806-89-8
Catalog: |
BB024139 |
Product Name: |
4-Ethynyl-1-methyl-1H-pyrazole |
CAS: |
39806-89-8 |
Synonyms: |
4-ethynyl-1-methylpyrazole |
IUPAC Name: | 4-ethynyl-1-methylpyrazole |
Description: | 4-Ethynyl-1-methyl-1H-pyrazole (CAS# 39806-89-8) is a useful research chemical. |
Molecular Weight: | 106.13 |
Molecular Formula: | C6H6N2 |
Canonical SMILES: | CN1C=C(C=N1)C#C |
InChI: | InChI=1S/C6H6N2/c1-3-6-4-7-8(2)5-6/h1,4-5H,2H3 |
InChI Key: | RACKOVAPLUVOJA-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 0.40140 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461753-A | 2-alkynyl mannose derivative and application thereof | 20200331 |
WO-2021197363-A1 | 2-alkynyl mannose derivative and application thereof | 20200331 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
WO-2020121263-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.053098200 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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